2FWZ
Structure of human Hsp90-alpha bound to the potent water soluble inhibitor PU-H71
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2006-01-24 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 66.680, 91.280, 98.640 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.370 - 2.100 |
Rwork | 0.190 |
R-free | 0.22800 |
Structure solution method | SAD |
Starting model (for MR) | 1uy6 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.600 |
Data reduction software | HKL-2000 |
Data scaling software | XDS |
Phasing software | CNS |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.180 |
High resolution limit [Å] | 2.100 | 2.100 |
Number of reflections | 33393 | |
<I/σ(I)> | 18.85 | 6.11 |
Completeness [%] | 98.2 | 83.7 |
Redundancy | 3.5 | 2.03 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | 10-12% PEG-2KMME, .1-.3M MgCl2, .1 M NaCacodylate 5 molar excess of H71, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |